SpectraBase Spectrum ID |
Bajbpi4KjPD |
Name |
Phenyl-(2-pivaloyl-amidophenyl)-methane |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
267.162314299 u |
Formula |
C18H21NO |
InChI |
InChI=1S/C18H21NO/c1-18(2,3)17(20)19-16-12-8-7-11-15(16)13-14-9-5-4-6-10-14/h4-12H,13H2,1-3H3,(H,19,20) |
InChIKey |
BDYMLDYIYIGVCY-UHFFFAOYSA-N |
Molecular Weight |
267.372 g/mol |
SMILES |
C1(NC(=O)C(C)(C)C)=C(CC=2C=CC=CC2)C=CC=C1 |
Spectrum/Structure Validation Score (Raman) |
0.98643 |